3-Buten-2-one, 4-morpholino-1-phenyl-1-(2-thienyl)-, hydrochloride
TL;DR: 3-Buten-2-one, 4-morpholino-1-phenyl-1-(2-thienyl)-, hydrochloride (CAS 100482-66-4) is a chemical compound with molecular formula C18H20ClNO2S and molecular weight 349.09033 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-4-morpholin-4-ium-4-yl-1-phenyl-1-thiophen-2-ylbut-3-en-2-one chloride
Also Known As: 4-Morpholino-1-phenyl-1-(2-thienyl)-3-buten-2-one hydrochloride, 3-BUTEN-2-ONE, 4-MORPHOLINO-1-PHENYL-1-(2-THIENYL)-, HYDROCHLORIDE, (E)-4-morpholin-4-ium-4-yl-1-phenyl-1-thiophen-2-ylbut-3-en-2-one chloride
Technical Specifications
| Molecular Formula | C18H20ClNO2S |
| Molecular Weight | 349.09033 g/mol |
| XLogP | -1.1181 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.09033 Da |
| Heavy Atoms | 23 |
| Complexity | 387.0 |
| SMILES | C1COCC[NH+]1/C=C/C(=O)C(C2=CC=CC=C2)C3=CC=CS3.[Cl-] |
| InChIKey | DKWUVAUTBKFJGW-HRNDJLQDSA-N |
Chemical Property Profile of 3-Buten-2-one, 4-morpholino-1-phenyl-1-(2-thienyl)-, hydrochloride
Property Insights of 3-Buten-2-one, 4-morpholino-1-phenyl-1-(2-thienyl)-, hydrochloride
The XLogP value of -1.1181 indicates that 3-Buten-2-one, 4-morpholino-1-phenyl-1-(2-thienyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.0 Ų, 3-Buten-2-one, 4-morpholino-1-phenyl-1-(2-thienyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 4-morpholino-1-phenyl-1-(2-thienyl)-, hydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Buten-2-one, 4-morpholino-1-phenyl-1-(2-thienyl)-, hydrochloride?
The CAS number of 3-Buten-2-one, 4-morpholino-1-phenyl-1-(2-thienyl)-, hydrochloride is 100482-66-4.
What is the molecular formula of 3-Buten-2-one, 4-morpholino-1-phenyl-1-(2-thienyl)-, hydrochloride?
The molecular formula of 3-Buten-2-one, 4-morpholino-1-phenyl-1-(2-thienyl)-, hydrochloride is C18H20ClNO2S.
What is the molecular weight of 3-Buten-2-one, 4-morpholino-1-phenyl-1-(2-thienyl)-, hydrochloride?
The molecular weight of 3-Buten-2-one, 4-morpholino-1-phenyl-1-(2-thienyl)-, hydrochloride is 349.09033 g/mol.
Where can I buy 3-Buten-2-one, 4-morpholino-1-phenyl-1-(2-thienyl)-, hydrochloride?
You can request a quote for 3-Buten-2-one, 4-morpholino-1-phenyl-1-(2-thienyl)-, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Buten-2-one, 4-morpholino-1-phenyl-1-(2-thienyl)-, hydrochloride?
Yes, CoreyChem provides custom synthesis services for 3-Buten-2-one, 4-morpholino-1-phenyl-1-(2-thienyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.